2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide

C21H27NO3 — CID 97067577

IUPAC2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c1
InChIInChI=1S/C21H27NO3/c1-14-10-15(2)19(24)17(11-14)20(25)22-12-18(21(3,4)13-23)16-8-6-5-7-9-16/h5-11,18,23-24H,12-13H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyYQTKRPSTCAFNGK-GOSISDBHSA-N
MW341.45 g/mol
LogP3.54
Rot. Bonds6

About 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide

2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide (PubChem CID 97067577) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
PubChem CID97067577
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)c(O)c(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c1
InChIInChI=1S/C21H27NO3/c1-14-10-15(2)19(24)17(11-14)20(25)22-12-18(21(3,4)13-23)16-8-6-5-7-9-16/h5-11,18,23-24H,12-13H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyYQTKRPSTCAFNGK-GOSISDBHSA-N
XLogP3.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102560447
N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99696573
2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
CID 109400562
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 126775116
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide
CID 97076051
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide (CID 97067577) is 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide is Cc1cc(C)c(O)c(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c1.
What is the InChIKey of 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide?
The InChIKey is YQTKRPSTCAFNGK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14-10-15(2)19(24)17(11-14)20(25)22-12-18(21(3,4)13-23)16-8-6-5-7-9-16/h5-11,18,23-24H,12-13H2,1-4H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide?
2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 97067577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).